2-(2,3-dioxaldehydoylphenyl)-2-oxidanylidene-ethanal trihydrate

Systemtic Name: 2-(2,3-dioxaldehydoylphenyl)-2-oxidanylidene-ethanal trihydrate Openeye Name: 2-(2,3-dioxaldehydoylphenyl)-2-oxo-acetaldehyde trihydrate CAS Name: 2-(2,3-dioxaldehydoylphenyl)-2-oxoacetaldehyde trihydrate IUPAC Name: 2-(2,3-dioxaldehydoylphenyl)-2-oxoacetaldehyde trihydrate Traditional Name: 2-(2,3-diglyoxyloylphenyl)-2-keto-acetaldehyde trihydrate Formula: C12H12O9 MolecularWeight: 300.21828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)C=O)C(=O)C=O)C(=O)C=O.O.O.O

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)C=O)C(=O)C=O)C(=O)C=O.O.O.O

InChI

InChI=1S/C12H6O6.3H2O/c13-4-9(16)7-2-1-3-8(10(17)5-14)12(7)11(18)6-15;;;/h1-6H;3*1H2